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CHEBI:68629 - tartrazine acid

ChEBI IDCHEBI:68629
ChEBI Nametartrazine acid
Stars
DefinitionA pyrazoles which is pyrazole-3-carboxylic acid substituted by an oxo group at position 5, a 4-sulfophenyl group at position 1 and (4-sulfophenyl)diazenyl group at position 4.
Last Modified25 August 2023
Submitternamrata
DownloadsMolfile
FormulaC16H12N4O9S2
Net Charge0
Average Mass468.425
Monoisotopic Mass468.00457
SMILESO=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1/N=N/c1ccc(S(=O)(=O)O)cc1
InChIInChI=1S/C16H12N4O9S2/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29/h1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29)/b18-17+
InChIKeyRFKITWRHKUYMRJ-ISLYRVAYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
tartrazine acid (CHEBI:68629) is a arenesulfonic acid (CHEBI:33555)
tartrazine acid (CHEBI:68629) is a monoazo compound (CHEBI:48959)
tartrazine acid (CHEBI:68629) is a monocarboxylic acid (CHEBI:25384)
tartrazine acid (CHEBI:68629) is a pyrazoles (CHEBI:26410)
tartrazine acid (CHEBI:68629) is conjugate acid of tartrazine(3−) (CHEBI:68628)
Incoming Relation(s)
tartrazine(3−) (CHEBI:68628) is conjugate base of tartrazine acid (CHEBI:68629)
IUPAC Name 
5-oxo-1-(4-sulfophenyl)-4-[(E)-(4-sulfophenyl)diazenyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid
Registry NumbersSources
Reaxys:951071Reaxys
CAS:34175-08-1ChemIDplus